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(E)-1-(2,4-Dichloro-phen-yl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)prop-2-en-1-one.

ABSTRACT: In the title mol-ecule, C(24)H(16)Cl(2)N(2)O, the dihedral angles between the pyrazole ring and its N- and C-bonded phenyl rings are 7.06?(10) and 53.15?(10)°, respectively. The dihedral angle between the two pendant rings is 52.32?(10)°. The mol-ecule exists in a trans conformation with respect to the acyclic C=C bond. In the crystal, inversion dimers occur in which each mol-ecule is linked to the other by two C-H?O hydrogen bonds to the same acceptor O atom. There are also short Cl?Cl contacts [3.3492?(9)?Å] and C-H?? inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3247488 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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(E)-1-(2,4-Dichloro-phen-yl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)prop-2-en-1-one.

Fun Hoong-Kun HK Quah Ching Kheng CK Malladi Shridhar S Isloor Arun M AM Shivananda Kammasandra N KN

Acta crystallographica. Section E, Structure reports online 20111029 Pt 11

In the title mol-ecule, C(24)H(16)Cl(2)N(2)O, the dihedral angles between the pyrazole ring and its N- and C-bonded phenyl rings are 7.06 (10) and 53.15 (10)°, respectively. The dihedral angle between the two pendant rings is 52.32 (10)°. The mol-ecule exists in a trans conformation with respect to the acyclic C=C bond. In the crystal, inversion dimers occur in which each mol-ecule is linked to the other by two C-H⋯O hydrogen bonds to the same acceptor O atom. There are also short Cl⋯Cl contacts ...[more]

PMID: 22220106

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